1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea

C14H15N3OS — CID 5249645

IUPAC1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(C)ccn2)c1
InChIInChI=1S/C14H15N3OS/c1-10-6-7-15-13(8-10)17-14(19)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyKTJMPGGZFMZRQA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.21
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea

1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea (PubChem CID 5249645) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
PubChem CID5249645
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(C)ccn2)c1
InChIInChI=1S/C14H15N3OS/c1-10-6-7-15-13(8-10)17-14(19)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyKTJMPGGZFMZRQA-UHFFFAOYSA-N
XLogP3.21
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
CID 935371
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911
1-(4-iodo-3-methylphenyl)-3-(3-methoxyphenyl)thiourea
CID 23793872
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
1-amino-3-(4-methyl-2-pyridinyl)thiourea
CID 55279966
1-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(3-methoxyphenyl)thiourea
CID 100746500
1-[4-(dimethylamino)phenyl]-3-(3-methoxyphenyl)thiourea
CID 976494
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea (CID 5249645) is 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea is COc1cccc(NC(=S)Nc2cc(C)ccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea?
The InChIKey is KTJMPGGZFMZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-6-7-15-13(8-10)17-14(19)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea?
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea has a molecular weight of 273.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 5249645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).